[(1S,2S)-2-methylcyclohexyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium

C21H27N2O+ — CID 6951801

IUPAC[(1S,2S)-2-methylcyclohexyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium
SMILESC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C21H26N2O/c1-16-9-5-7-13-19(16)22-15-21(24)23-20-14-8-6-12-18(20)17-10-3-2-4-11-17/h2-4,6,8,10-12,14,16,19,22H,5,7,9,13,15H2,1H3,(H,23,24)/p+1/t16-,19-/m0/s1
InChIKeyLEMNCDPTRIEGFF-LPHOPBHVSA-O
MW323.46 g/mol
LogP3.43
Rot. Bonds5

About [(1S,2S)-2-methylcyclohexyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium

[(1S,2S)-2-methylcyclohexyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium (PubChem CID 6951801) has the molecular formula C21H27N2O+ and a molecular weight of 323.46 g/mol. Its IUPAC name is [(1S,2S)-2-methylcyclohexyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium.

Molecular Properties

Compound Name[(1S,2S)-2-methylcyclohexyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium
PubChem CID6951801
Molecular FormulaC21H27N2O+
Molecular Weight323.46 g/mol
Exact Mass323.21
IUPAC Name[(1S,2S)-2-methylcyclohexyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium
SMILESC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C21H26N2O/c1-16-9-5-7-13-19(16)22-15-21(24)23-20-14-8-6-12-18(20)17-10-3-2-4-11-17/h2-4,6,8,10-12,14,16,19,22H,5,7,9,13,15H2,1H3,(H,23,24)/p+1/t16-,19-/m0/s1
InChIKeyLEMNCDPTRIEGFF-LPHOPBHVSA-O
XLogP3.43
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [(1S,2S)-2-methylcyclohexyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium with MolForge

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Related Compounds

[(1R,2R,3R)-2,3-dimethylcyclohexyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium
CID 11939600
[(1S,2S)-2-methylcyclohexyl]-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]azanium
CID 7406995
2-cyclohexyl-N-(2-phenylphenyl)acetamide
CID 1317156
3-[cycloheptyl(methyl)amino]-N-(2-phenylphenyl)propanamide
CID 55482831
[2-oxo-2-(2-phenylanilino)ethyl] cyclopentanecarboxylate
CID 8019936
2,6-dimethyl-N-(2-phenylphenyl)morpholine-4-carboxamide
CID 23604703
trans-[2-oxo-2-(2-phenylanilino)ethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 8019795
3-oxo-3-(2-phenylanilino)propanoic acid
CID 62230897
2-chloro-N-(2-phenylphenyl)acetamide
CID 1129350
2-(cyclopropylmethylamino)-N-(2-phenylphenyl)acetamide;hydrochloride
CID 119675331
3-[(3R)-3-methylpiperidin-1-yl]-N-(2-phenylphenyl)propanamide
CID 30099813
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(2-phenylphenyl)acetamide
CID 11940894

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-methylcyclohexyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium?
The IUPAC name of [(1S,2S)-2-methylcyclohexyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium (CID 6951801) is [(1S,2S)-2-methylcyclohexyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium.
What is the SMILES notation for [(1S,2S)-2-methylcyclohexyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium?
The canonical SMILES for [(1S,2S)-2-methylcyclohexyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium is C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of [(1S,2S)-2-methylcyclohexyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium?
The InChIKey is LEMNCDPTRIEGFF-LPHOPBHVSA-O. The full InChI is InChI=1S/C21H26N2O/c1-16-9-5-7-13-19(16)22-15-21(24)23-20-14-8-6-12-18(20)17-10-3-2-4-11-17/h2-4,6,8,10-12,14,16,19,22H,5,7,9,13,15H2,1H3,(H,23,24)/p+1/t16-,19-/m0/s1.
What are the key properties of [(1S,2S)-2-methylcyclohexyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium?
[(1S,2S)-2-methylcyclohexyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium has a molecular weight of 323.46 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-methylcyclohexyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium is sourced from PubChem (CID 6951801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).